6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol

C48H30O6 — CID 163891273

IUPAC6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7cc(-c8ccccc8)ccc7c56)cccc34)c3ccccc23)c(O)c1O
InChIInChI=1S/C48H30O6/c49-44-43(45(50)47(52)48(53)46(44)51)42-35-15-6-4-13-33(35)40(34-14-5-7-16-36(34)42)31-20-9-17-28-29(31)18-8-19-30(28)32-21-10-22-38-41(32)37-24-23-27(25-39(37)54-38)26-11-2-1-3-12-26/h1-25,49-53H
InChIKeyQBSYPWKPNYQIRW-UHFFFAOYSA-N
MW702.76 g/mol
LogP12.24
Rot. Bonds4

About 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol

6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol (PubChem CID 163891273) has the molecular formula C48H30O6 and a molecular weight of 702.76 g/mol. Its IUPAC name is 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
PubChem CID163891273
Molecular FormulaC48H30O6
Molecular Weight702.76 g/mol
Exact Mass702.20
IUPAC Name6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7cc(-c8ccccc8)ccc7c56)cccc34)c3ccccc23)c(O)c1O
InChIInChI=1S/C48H30O6/c49-44-43(45(50)47(52)48(53)46(44)51)42-35-15-6-4-13-33(35)40(34-14-5-7-16-36(34)42)31-20-9-17-28-29(31)18-8-19-30(28)32-21-10-22-38-41(32)37-24-23-27(25-39(37)54-38)26-11-2-1-3-12-26/h1-25,49-53H
InChIKeyQBSYPWKPNYQIRW-UHFFFAOYSA-N
XLogP12.24
TPSA114.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.76
LogP ≤ 512.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran
CID 176639419
6-[10-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163829940
1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol
CID 171447261
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
1-[8-dibenzofuran-1-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;3-[8-dibenzofuran-3-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran
CID 159957368
7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405887
CID 174138536
CID 174138536
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
6-[10-[4-[2-(8,9-diphenyldibenzofuran-3-yl)phenanthren-9-yl]phenyl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 159454019

Frequently Asked Questions

What is the IUPAC name of 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol (CID 163891273) is 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7cc(-c8ccccc8)ccc7c56)cccc34)c3ccccc23)c(O)c1O.
What is the InChIKey of 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is QBSYPWKPNYQIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O6/c49-44-43(45(50)47(52)48(53)46(44)51)42-35-15-6-4-13-33(35)40(34-14-5-7-16-36(34)42)31-20-9-17-28-29(31)18-8-19-30(28)32-21-10-22-38-41(32)37-24-23-27(25-39(37)54-38)26-11-2-1-3-12-26/h1-25,49-53H.
What are the key properties of 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol?
6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 702.76 g/mol, XLogP of 12.24, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 163891273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).